SCHEMBL3958696

SCHEMBL3958696

Oc1ccccc1OC(CCc1ccc(Oc2ccccc2)cc1)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LTA4H P09960 5/20 0.37
MMP12 P39900 2/20 0.37
MMP13 P45452 2/20 0.37
MMP8 P22894 1/20 0.37
KCNH2 Q12809 1/20 0.37
FFAR1 O14842 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPK14 Q16539 1/20 0.35
MCHR1 Q99705 1/20 0.35
KCNA3 P22001 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3899545 1.00 NPC1 (0.44) NPC1RAB9ALTA4HMMP12MMP13
SCHEMBL3888745 1.00 NPC1 (0.44) NPC1RAB9ALTA4HMMP12MMP13
SCHEMBL6774705 0.81 GBA1 (0.37) KCNH2
SCHEMBL3892880 0.81 GBA1 (0.37) KCNH2
SCHEMBL3892351 0.81 GBA1 (0.37) KCNH2
SCHEMBL3892465 0.76 NAAA (0.41) MMP12MMP13HRH3
SCHEMBL6163067 0.75 MMP3 (0.44) HRH3
SCHEMBL3888748 0.71 NPC1 (0.36) NPC1RAB9AMAPK14
SCHEMBL24008595 0.68 RAB9A (0.72) NPC1RAB9ALTA4HHRH3MCHR1
SCHEMBL7244253 0.65 SIGMAR1 (0.45) LTA4HKCNH2HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R NPC1 844/4885RAB9A 3428/4885LTA4H 1280/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R NPC1 844/4885RAB9A 3428/4885LTA4H 1280/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.